0 B9R0.48 CCCC(C)CCC(=O)O MC112366 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.48 CCOC(=O)CCC(=O)Cl MC40471 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.48 CCOC(=O)CC[N+](=O)[O-] MC442447 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.1 C#CCCC(=O)OCC MC424003 [1,0,0,0,0,0|0,0,2]=3 6 B8R0.1 CCOC(=O)CCCO MC111642 [1,0,0,0,0,0|0,0,2]=3 7 B8R0.1 CCOC(=O)CN=C=O MC41055 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.1 CCOC(=O)\C=C\C=O CS11394 [1,0,0,0,0,0|0,0,2]=3 9 B8R0.9 CNC(=O)CNC(C)=O MC436060 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.9 COC(=O)CCC(=O)O CS11694 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.9 COC(=O)CCS(=O)[O-] CS11954 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.9 NCC(=O)CCC(=O)O CS10222 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.9 NCC(=O)CCC(=O)O MC34214 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.9 O=C(O)CNC(=O)CCl MC436845 [1,0,0,0,0,0|3,0,0]=4 15 B10R0.26 CCOC(=O)CC(=O)C(C)C CS20529 [0,1,0,0,0,0|1,0,2]=4 16 B10R0.26 CCOC(=O)CN(C)C(C)=O MC106401 [0,1,0,0,0,0|1,0,0]=2 17 B10R0.32 CCOC(=O)C(=O)CC(C)C CS15204 [0,1,0,0,0,0|1,0,2]=4 18 B10R0.32 CCOC(=O)C(N)CC(C)C CS14067 [0,1,0,0,0,0|1,0,1]=3 19 B10R0.32 CCOC(=O)C(N)CC(C)C MC439260 [0,1,0,0,0,0|1,0,1]=3 20 B10R0.57 CCC(N)C(=O)NCC(=O)O MC439307 [0,1,0,0,0,0|3,0,0]=4 21 B10R0.78 CCCCC(=O)NCC(=O)O MC428130 [0,1,0,0,0,0|3,0,0]=4 22 B10R0.108 CCOC(=O)CNC(=O)CN MC439365 [0,1,0,0,0,0|1,0,0]=2 23 B10R0.109 CCOC(=O)CCC(C)(C)N MC112460 [0,1,0,0,0,0|1,0,1]=3 24 B10R1.64 O=C(O)CN1CCCC1=O CS20147 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.113 O=C1CCNC(C(=O)O)C1 MC113049 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445805 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.113 O=C1CCNC(C(=O)O)C1 MC445809 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.140 CCOC(=O)C1CC(=O)C1 CS15362 [0,0,0,1,0,0|0,0,0]=1 29 B10R1.140 CCOC(=O)C1CC(O)C1 MC103673 [0,0,0,1,0,0|0,0,2]=3 30 B10R1.140 CCOC(=O)C1CC(O)C1 MC425137 [0,0,0,1,0,0|0,0,2]=3 31 B10R1.400 CCOC(=O)C1CC1(F)Cl MC425295 [0,0,0,1,0,0|2,0,1]=4 32 B10R1.400 CCOC(=O)C1NC1(C)C CS16735 [0,0,0,1,0,0|2,0,1]=4 33 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,0,0,0,1,0|1,0,1]=3 34 B8R0.5 CCOC(=O)CC(=N)N MC41916 [0,0,0,0,1,0|2,0,0]=3 35 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [0,0,0,0,1,0|1,0,0]=2 36 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,0,0,0,1,0|0,0,0]=1 37 B8R0.5 CCOC(=O)CC(C)O CS11353 [0,0,0,0,1,0|0,0,2]=3 38 B8R0.5 CCOC(=O)CC(C)O CS18545 [0,0,0,0,1,0|0,0,2]=3 39 B8R0.5 CCOC(=O)CC(N)=O CS18301 [0,0,0,0,1,0|1,0,0]=2 40 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS22612 [0,0,0,0,1,0|2,0,0]=3 41 B8R0.5 CCOC(=O)OC(C)Cl CS20668 [0,0,0,0,1,0|2,0,1]=4 42 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [0,0,0,0,1,0|1,0,1]=3 43 B7R0.3 C#CCCC(=O)OC MC424002 [2,0,0,0,0,0|0,0,2]=4 44 B7R0.3 COC(=O)CCC=O MC21172 [2,0,0,0,0,0|0,0,0]=2 45 B7R0.3 COC(=O)CCCBr MC427387 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.3 COC(=O)CCCN MC439309 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.7 CC#CC(=O)OCC CS10117 [2,0,0,0,0,0|0,0,2]=4 48 B7R0.7 CCOC(=O)CC#N MC41911 [2,0,0,0,0,0|1,0,1]=4 49 B7R0.7 CCOC(=O)CCN CS14330 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.7 CCOC(=O)CNC CS17068 [2,0,0,0,0,0|1,0,0]=3 51 B7R0.7 CCOC(=O)CNN CS19987 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.7 CCOC(=O)COC CS11389 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.4 CC(=O)CCCCBr CS10627 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.4 CCC\C=C\C(C)=O MC20875 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.4 CCO\C=C\C(=O)O CS22271 [2,0,0,0,0,0|1,0,1]=4 58 B7R0.6 C=C(C)CCC(=O)O CS16527 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.6 CC(=O)CCC(=O)O CS18688 [2,0,0,0,0,0|0,0,0]=2 60 B7R0.6 CC(=O)NCC(=O)O CS19131 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.6 CC(N)CCC(=O)O MC435302 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.6 CN(C)CCC(=O)O CS12169 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.6 O=C(O)CC[N+](=O)[O-] MC442448 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.6 O=C([O-])CCC(=O)[O-] MC34018 [2,0,0,0,0,0|1,0,1]=4 65 B9R0.5 CCOC(=O)CCCCBr CS13726 [1,1,0,0,0,0|0,0,1]=3 66 B9R0.5 CCOC(=O)CCCCN CS14354 [1,1,0,0,0,0|0,0,1]=3 67 B9R0.5 CCOC(=O)CNCCN MC436180 [1,1,0,0,0,0|1,0,1]=4 68 B9R0.5 C\C=C\C=C\C(=O)OCC MC446660 [1,1,0,0,0,0|0,0,2]=4 69 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [1,1,0,0,0,0|0,0,2]=4 70 B9R0.34 CCOC(=O)CC(=O)NC MC106824 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.35 CCCC(=O)C(=O)OCC CS14582 [1,1,0,0,0,0|0,0,2]=4 72 B9R0.35 CCCC(N)C(=O)OCC MC439184 [1,1,0,0,0,0|0,0,1]=3 73 B9R0.21 COC(=O)CCC(C)(C)N MC112459 [1,1,0,0,0,0|1,0,1]=4 74 B9R0.23 C=C(NC(C)=O)C(=O)OC MC425406 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.23 CCC(=O)C(C)CN(C)C CS12103 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.23 CNC(=O)C(C)NC(C)=O MC436016 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.23 COC(=O)C(=O)CC(C)=O MC446700 [1,1,0,0,0,0|0,0,1]=3 78 B9R0.23 COC(=O)C(C)NC(C)=O MC436018 [1,1,0,0,0,0|1,0,0]=3 79 B9R0.23 COC(=O)C(C)NC(C)=O MC436019 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.23 COC(=O)C(N)CC(=O)O MC436253 [1,1,0,0,0,0|1,0,0]=3 81 B9R0.23 COC(=O)C(N)CC(=O)O MC436254 [1,1,0,0,0,0|1,0,0]=3 82 B9R0.23 COC(=O)C(N)CC(=O)O MC436255 [1,1,0,0,0,0|1,0,0]=3 83 B9R0.23 COC(=O)C(N)CC(=O)O MC436271 [1,1,0,0,0,0|1,0,0]=3 84 B9R0.23 COC(=O)C(N)CC(C)C CS22260 [1,1,0,0,0,0|1,0,1]=4 85 B9R0.23 COC(=O)C(N)CC(C)C MC437840 [1,1,0,0,0,0|1,0,1]=4 86 B9R0.23 COC(=O)C(N)CC(C)C MC437841 [1,1,0,0,0,0|1,0,1]=4 87 B9R0.23 COC(=O)C(N)CC(N)=O MC436238 [1,1,0,0,0,0|1,0,0]=3 88 B9R0.24 COC(=O)C#CC(=O)OC CS11256 [1,1,0,0,0,0|0,0,2]=4 89 B9R0.24 COC(=O)CCS(=O)OC MC425069 [1,1,0,0,0,0|1,0,0]=3 90 B9R0.24 COC(=O)CNC(=O)CN MC439205 [1,1,0,0,0,0|1,0,0]=3 91 B9R0.42 COC(=O)CC(=O)C(=O)O MC442592 [1,1,0,0,0,0|1,0,1]=4 92 B9R0.42 COC(=O)CC(N)C(=O)O CS13817 [1,1,0,0,0,0|1,0,0]=3 93 B9R0.42 COC(=O)CC(N)C(=O)O CS22944 [1,1,0,0,0,0|1,0,0]=3 94 B9R0.42 COC(=O)CC(N)C(=O)O MC436270 [1,1,0,0,0,0|1,0,0]=3 95 B9R0.6 CCOC(=O)C(Br)C(C)C CS19615 [0,1,0,0,1,0|1,0,1]=4 96 B9R0.6 CCOC(=O)C(C)C(C)=O CS19187 [0,1,0,0,1,0|0,0,0]=2 97 B9R0.6 CCOC(=O)C(F)C(C)=O MC32203 [0,1,0,0,1,0|0,0,0]=2 98 B9R0.6 CCOC(=O)C(F)C(C)C MC429819 [0,1,0,0,1,0|1,0,1]=4 99 B9R0.6 CCOC(=O)C(N)C(C)C MC438303 [0,1,0,0,1,0|1,0,1]=4 100 B9R0.44 CCOC(=O)CC(C)(C)N CS14497 [0,1,0,0,1,0|1,0,1]=4 101 B9R0.44 CCOC(=O)CC(C)(C)O CS15635 [0,1,0,0,1,0|0,0,2]=4 102 B9R0.53 C\C(N)=C\C(=O)OC(C)C CS10135 [0,1,0,0,1,0|1,0,1]=4 103 B11R0.1 CCOC(=O)\C=C(/C)NC(C)=O CS11384 [0,1,0,0,0,1|0,0,2]=4 104 B11R0.1 CCOC(=O)\C=C(/C)NC(C)=O CS16452 [0,1,0,0,0,1|0,0,2]=4 105 B11R0.141 CCOC(=O)CCC(N)C(=O)O MC437692 [0,1,0,0,0,1|1,0,0]=3 106 B11R0.180 CCOC(=O)CCC[N+](C)(C)C MC446679 [0,1,0,0,0,1|2,0,0]=4 107 B11R0.56 CCOC(=O)C(CS)NC(C)=O MC103053 [0,2,0,0,0,0|1,0,0]=3 108 B11R0.34 CC(C)(C)OC(=O)CCC(=O)O CS11695 [0,2,0,0,0,0|1,0,0]=3 109 B11R0.34 CC(C)(C)OC(=O)NCC(=O)O CS14438 [0,2,0,0,0,0|2,0,0]=4 110 B11R0.62 CCOC(=O)C#CC(=O)OCC CS15872 [0,2,0,0,0,0|0,0,2]=4 111 B9R1.7 CCOC1=CC(=O)CC1 MC425592 [1,0,0,1,0,0|1,0,0]=3 112 B9R1.15 CCC1CNCCC1=O CS17950 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.33 COCC1CCCC1=O MC106167 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.49 CN1CCCC(=O)CC1 CS13899 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.50 O=C1CCCCCCN1 CS21316 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.73 CCOC(=O)C1CCC1 MC41840 [1,0,0,1,0,0|0,0,1]=3 117 B9R1.73 CCOC(=O)C1CNC1 CS11347 [1,0,0,1,0,0|1,0,0]=3 118 B9R1.183 CCOC(=O)C1CC1Br MC430633 [1,0,0,1,0,0|1,0,1]=4 119 B9R1.183 CCOC(=O)C1CC1F MC425315 [1,0,0,1,0,0|1,0,1]=4 120 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [1,0,0,1,0,0|1,0,1]=4 121 B9R1.6 CC(=O)C1CC=CCC1 MC430669 [1,0,0,1,0,0|1,0,0]=3 122 B9R1.6 CC(=O)C1CCOCC1 CS13055 [1,0,0,1,0,0|0,0,1]=3 123 B9R1.6 O=C(O)C1CC=CCC1 MC20590 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.6 O=C(O)C1CC=CCC1 MC20996 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.6 O=C(O)C1CCOCC1 CS18392 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.13 O=C(O)CC1CCOC1 CS20367 [1,0,0,1,0,0|1,0,1]=4 127 B9R1.1 COC1CCC(=O)CC1 CS14437 [1,0,0,1,0,0|1,0,1]=4 128 B9R1.10 CC1(C)CCC(=O)CC1 CS22420 [1,0,0,1,0,0|1,0,1]=4 129 B9R1.10 CC1(O)CCC(=O)CC1 CS14351 [1,0,0,1,0,0|0,0,2]=4 130 B9R1.10 O=C1CCS(=O)(=O)CC1 CS15032 [1,0,0,1,0,0|2,0,0]=4 131 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [1,0,0,1,0,0|1,0,0]=3 132 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [1,0,0,1,0,0|1,0,0]=3 133 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [1,0,0,1,0,0|1,0,0]=3 134 B9R1.35 O=C1CCC(C(=O)O)N1 CS22212 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.35 O=C1CCC(C(=O)O)N1 MC438135 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.35 O=C1CCC(C(=O)O)S1 MC103888 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.82 COC(=O)C1CC(=O)C1 CS13104 [1,0,0,1,0,0|0,0,0]=2 138 B9R1.82 COC(=O)C1CC(Br)C1 MC103784 [1,0,0,1,0,0|1,0,1]=4 139 B9R1.82 COC(=O)C1CC(Br)C1 MC103785 [1,0,0,1,0,0|1,0,1]=4 140 B9R1.82 COC(=O)C1CC(Cl)C1 MC444530 [1,0,0,1,0,0|1,0,1]=4 141 B9R1.82 COC(=O)C1CC(N)C1 CS15952 [1,0,0,1,0,0|1,0,1]=4 142 B9R1.82 COC(=O)C1CC(N)C1 MC103928 [1,0,0,1,0,0|1,0,1]=4 143 B9R1.82 COC(=O)C1CC(N)C1 MC103997 [1,0,0,1,0,0|1,0,1]=4 144 B9R1.82 COC(=O)C1CC(N)C1 MC444564 [1,0,0,1,0,0|1,0,1]=4 145 B9R1.82 COC(=O)C1CC(O)C1 MC444276 [1,0,0,1,0,0|0,0,2]=4 146 B9R1.82 COC(=O)C1CC(O)C1 MC444557 [1,0,0,1,0,0|0,0,2]=4 147 B9R1.82 COC(=O)C1CC(O)C1 MC444565 [1,0,0,1,0,0|0,0,2]=4 148 B9R1.34 CC1CC(=O)CC(=O)C1 CS19597 [0,0,0,1,1,0|1,0,0]=3 149 B9R1.34 CC1CC(=O)CC(C)O1 MC425912 [0,0,0,1,1,0|1,0,1]=4 150 B11R1.15 CCOC(=O)C1CC(Br)=NO1 MC107095 [0,0,0,1,0,1|2,0,0]=4 151 B11R1.15 CCOC(=O)C1CCC(=O)N1 CS15604 [0,0,0,1,0,1|1,0,0]=3 152 B11R1.15 CCOC(=O)C1CCC(=O)N1 CS15722 [0,0,0,1,0,1|1,0,0]=3 153 B11R1.15 CCOC(=O)N1CCC(=O)C1 CS18745 [0,0,0,1,0,1|0,0,0]=2 154 B11R1.201 CCOC(=O)CC1CC(O)C1 MC102144 [0,0,0,1,0,1|0,0,2]=4 155 B11R1.201 CCOC(=O)CC1CC(O)C1 MC104869 [0,0,0,1,0,1|0,0,2]=4 156 B11R1.201 CCOC(=O)CC1CC(O)C1 MC104870 [0,0,0,1,0,1|0,0,2]=4 157 B11R1.86 NC(=O)CC1CCCCC1=O MC102254 [0,1,0,1,0,0|2,0,0]=4 158 B11R1.821 CCOC(=O)C1CC(F)(F)C1 MC431153 [0,1,0,1,0,0|1,0,1]=4 159 B11R1.833 CCOC(=O)C1(C)CC(N)C1 MC104862 [0,1,0,1,0,0|1,0,1]=4 160 B11R1.833 CCOC(=O)C1(C)CC(N)C1 MC104863 [0,1,0,1,0,0|1,0,1]=4 161 B11R1.833 CCOC(=O)C1(C)CC(O)C1 MC104864 [0,1,0,1,0,0|0,0,2]=4 162 B11R1.833 CCOC(=O)C1(C)CC(O)C1 MC104865 [0,1,0,1,0,0|0,0,2]=4 163 B11R1.21 CN1CCC(C(=O)O)CC1=O MC444118 [0,1,0,1,0,0|2,0,0]=4 164 B11R1.1 CCCOC1CCC(=O)CC1 CS17706 [0,1,0,1,0,0|1,0,1]=4 165 B11R1.23 COC(=O)C1CC(=O)CCN1 MC102440 [0,1,0,1,0,0|2,0,0]=4 166 B11R1.23 COC(=O)C1CC(=O)CCN1 MC445806 [0,1,0,1,0,0|2,0,0]=4 167 B11R1.23 COC(=O)C1CC(=O)CCN1 MC445807 [0,1,0,1,0,0|2,0,0]=4 168 B11R1.155 CS(=O)(=O)C1CCCC(=O)C1 MC106164 [0,1,0,1,0,0|2,0,0]=4 169 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,0,0,0,1,0|0,0,0]=2 170 B7R0.2 CCC(=O)OC(C)=O CS16382 [1,0,0,0,1,0|1,0,0]=3 171 B7R0.2 COC(=O)CC(=O)O CS13436 [1,0,0,0,1,0|1,0,0]=3 172 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [1,0,0,0,1,0|1,0,0]=3 173 B7R0.2 COC(=O)CC(C)=O MC41927 [1,0,0,0,1,0|0,0,0]=2 174 B7R0.2 COC(=O)CC(C)O CS11584 [1,0,0,0,1,0|0,0,2]=4 175 B7R0.2 COC(=O)C[N+](=O)[O-] MC41932 [1,0,0,0,1,0|2,0,0]=4 176 B7R0.2 COC(=O)\C=C(/C)N CS13690 [1,0,0,0,1,0|1,0,1]=4 177 B7R0.5 CCOC(=O)C(C)C CS11388 [0,0,0,0,2,0|1,0,1]=4 178 B7R0.5 CCOC(=O)C(C)F MC439605 [0,0,0,0,2,0|1,0,1]=4 179 B7R0.5 CCOC(=O)C(C)N CS15404 [0,0,0,0,2,0|1,0,1]=4 180 B7R0.5 CCOC(=O)C(C)N MC436160 [0,0,0,0,2,0|1,0,1]=4 181 B7R0.5 CCOC(=O)C(C)O CS20075 [0,0,0,0,2,0|0,0,2]=4 182 B7R0.5 CCOC(=O)C(N)=S CS11392 [0,0,0,0,2,0|1,1,0]=4 183 B11R0.176 CCOC(=O)CCCCC(N)=O MC428169 [0,0,0,0,0,2|1,0,0]=3